4(3H)-Quinazolinone, 6,8-dibromo-3-(2-chlorophenyl)-2-(((1-methylpropyl)thio)methyl)-

HCID 63182

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Basic information

CAS: 108635-37-6
Standard SMILES: CCC(C)SCc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1Cl
InChIKey: ZZPILCJSFZDJGN-UHFFFAOYSA-N
Molecular formula: C19H17Br2ClN2OS
Average molar mass: 516.7 g/mol
Monoisotopic mass: 513.91169

Names & identifiers

Preferred name: 4(3H)-Quinazolinone, 6,8-dibromo-3-(2-chlorophenyl)-2-(((1-methylpropyl)thio)methyl)-
IUPAC: 6,8-dibromo-2-(butan-2-ylsulfanylmethyl)-3-(2-chlorophenyl)quinazolin-4-one

Names & synonyms

6,8-Dibromo-3-(2-chlorophenyl)-2-(((1-methylpropyl)thio)methyl)-4(3H)-quinazolinone108635-37-64(3H)-Quinazolinone, 6,8-dibromo-3-(2-chlorophenyl)-2-(((1-methylpropyl)thio)methyl)-RefChem:284215DTXSID209107986,8-Dibromo-2-{[(butan-2-yl)sulfanyl]methyl}-3-(2-chlorophenyl)quinazolin-4(3H)-one

Database identifiers

CAS: 108635-37-6
PubChem CID: 63182
DTXSID: DTXSID20910798

Properties

Computed structural properties

XLogP: 6.4
Topological polar surface area: 58 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 26
Formal charge: 0
Complexity: 550

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